4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one

C23H19N3O3 — CID 23473405

IUPAC4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one
SMILESCN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H19N3O3/c1-24(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)25(18-12-6-3-7-13-18)23(27)22(21)26(28)29/h2-15H,16H2,1H3
InChIKeyXEWVRVYVODLRPY-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.54
Rot. Bonds5

About 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one

4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one (PubChem CID 23473405) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one
PubChem CID23473405
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one
SMILESCN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H19N3O3/c1-24(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)25(18-12-6-3-7-13-18)23(27)22(21)26(28)29/h2-15H,16H2,1H3
InChIKeyXEWVRVYVODLRPY-UHFFFAOYSA-N
XLogP4.54
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one?
The IUPAC name of 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one (CID 23473405) is 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one is CN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one?
The InChIKey is XEWVRVYVODLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-24(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)25(18-12-6-3-7-13-18)23(27)22(21)26(28)29/h2-15H,16H2,1H3.
What are the key properties of 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one?
4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one has a molecular weight of 385.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 23473405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).